3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-methyl-1,4-dihydro-5H-5lambda~6~-[1]benzothiopyrano[4,3-c]pyrazole-5,5-dione
Chemical Structure Depiction of
3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-methyl-1,4-dihydro-5H-5lambda~6~-[1]benzothiopyrano[4,3-c]pyrazole-5,5-dione
3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-methyl-1,4-dihydro-5H-5lambda~6~-[1]benzothiopyrano[4,3-c]pyrazole-5,5-dione
Compound characteristics
| Compound ID: | E207-1343 |
| Compound Name: | 3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-methyl-1,4-dihydro-5H-5lambda~6~-[1]benzothiopyrano[4,3-c]pyrazole-5,5-dione |
| Molecular Weight: | 440.5 |
| Molecular Formula: | C22 H21 F N4 O3 S |
| Smiles: | Cn1c2c3ccccc3S(Cc2c(C(N2CCN(CC2)c2ccc(cc2)F)=O)n1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.244 |
| logD: | 2.244 |
| logSw: | -2.7669 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.996 |
| InChI Key: | XXILQKYHJKMSKL-UHFFFAOYSA-N |